8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C17H29N5 — CID 118747223

IUPAC8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCN1CCN(CC2CN(CC3CC3)Cc3nccn3C2)CC1
InChIInChI=1S/C17H29N5/c1-19-6-8-20(9-7-19)11-16-12-21(10-15-2-3-15)14-17-18-4-5-22(17)13-16/h4-5,15-16H,2-3,6-14H2,1H3
InChIKeyXTRIEYCFLCCYAP-UHFFFAOYSA-N
MW303.45 g/mol
LogP0.97
Rot. Bonds4

About 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 118747223) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID118747223
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESCN1CCN(CC2CN(CC3CC3)Cc3nccn3C2)CC1
InChIInChI=1S/C17H29N5/c1-19-6-8-20(9-7-19)11-16-12-21(10-15-2-3-15)14-17-18-4-5-22(17)13-16/h4-5,15-16H,2-3,6-14H2,1H3
InChIKeyXTRIEYCFLCCYAP-UHFFFAOYSA-N
XLogP0.97
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-isopropyl-1,4-diazepane
CID 56870229
8-(Cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118745157
4-[[8-(Cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 118746954
1-[(1-Methylimidazol-2-yl)methyl]-4-propylpiperazine
CID 53521134
(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 164636420
1-[[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]azepane
CID 60331054
1-[4-(2-cyclopropyl-1H-imidazol-1-yl)butyl]azepane
CID 56871739
8-(2-Methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 124052502
1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 131659363
N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine
CID 134076042
1-(cyclopropylmethyl)-2-methyl-1H-imidazole
CID 54015948
8-Propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 57531010

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 118747223) is 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is CN1CCN(CC2CN(CC3CC3)Cc3nccn3C2)CC1.
What is the InChIKey of 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is XTRIEYCFLCCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-19-6-8-20(9-7-19)11-16-12-21(10-15-2-3-15)14-17-18-4-5-22(17)13-16/h4-5,15-16H,2-3,6-14H2,1H3.
What are the key properties of 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 303.45 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 118747223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).